3-chloro-1-benzothiophene-2-carbohydrazide

C9H7ClN2OS — CID 606925

IUPAC3-chloro-1-benzothiophene-2-carbohydrazide
SMILESNNC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C9H7ClN2OS/c10-7-5-3-1-2-4-6(5)14-8(7)9(13)12-11/h1-4H,11H2,(H,12,13)
InChIKeyHSEDHPBSCKIDQU-UHFFFAOYSA-N
MW226.69 g/mol
LogP2.16
Rot. Bonds1

About 3-chloro-1-benzothiophene-2-carbohydrazide

3-chloro-1-benzothiophene-2-carbohydrazide (PubChem CID 606925) has the molecular formula C9H7ClN2OS and a molecular weight of 226.69 g/mol. Its IUPAC name is 3-chloro-1-benzothiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-chloro-1-benzothiophene-2-carbohydrazide
PubChem CID606925
Molecular FormulaC9H7ClN2OS
Molecular Weight226.69 g/mol
Exact Mass226.00
IUPAC Name3-chloro-1-benzothiophene-2-carbohydrazide
SMILESNNC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C9H7ClN2OS/c10-7-5-3-1-2-4-6(5)14-8(7)9(13)12-11/h1-4H,11H2,(H,12,13)
InChIKeyHSEDHPBSCKIDQU-UHFFFAOYSA-N
XLogP2.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.69
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[[4-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]methyl]phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 5225240
3-chloro-N-ethyl-1-benzothiophene-2-carboxamide
CID 1080679
3-chloro-N-ethoxy-1-benzothiophene-2-carboxamide
CID 18169005
N-benzyl-3-chloro-1-benzothiophene-2-carboxamide
CID 675718
3-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-benzothiophene-2-carboxamide
CID 107844908
3-chloro-N-(2-chloroprop-2-enyl)-1-benzothiophene-2-carboxamide
CID 115636900
3-(sulfanylmethyl)-1-benzothiophene-2-carbohydrazide
CID 63590827
3-chloro-N-(2-methylbutan-2-yl)-1-benzothiophene-2-carboxamide
CID 977596
3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]butanoic acid
CID 43240664
ethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate
CID 2166794
3-chloro-1-benzothiophene-2-carboxylic acid;hydrochloride
CID 69253598
3-chloro-N-(4-phenylphenyl)-1-benzothiophene-2-carboxamide
CID 3128607

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-benzothiophene-2-carbohydrazide?
The IUPAC name of 3-chloro-1-benzothiophene-2-carbohydrazide (CID 606925) is 3-chloro-1-benzothiophene-2-carbohydrazide.
What is the SMILES notation for 3-chloro-1-benzothiophene-2-carbohydrazide?
The canonical SMILES for 3-chloro-1-benzothiophene-2-carbohydrazide is NNC(=O)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-1-benzothiophene-2-carbohydrazide?
The InChIKey is HSEDHPBSCKIDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2OS/c10-7-5-3-1-2-4-6(5)14-8(7)9(13)12-11/h1-4H,11H2,(H,12,13).
What are the key properties of 3-chloro-1-benzothiophene-2-carbohydrazide?
3-chloro-1-benzothiophene-2-carbohydrazide has a molecular weight of 226.69 g/mol, XLogP of 2.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-benzothiophene-2-carbohydrazide is sourced from PubChem (CID 606925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).